Information card for entry 7102535

Structure parameters

• Formula: C70.5 H90 B3 N O1.5
• Calculated formula: C71 H87 B3 N O
• Title of publication: Two contrasting ethynyl hydroboration pathways in the formation of a novel tris-hydroboration product from reaction of dimesitylborane with 2,5-diethynylpyridine.
• Authors of publication: Entwistle, Christopher D; Batsanov, Andrei S; Howard, Judith A K; Fox, Mark A; Marder, Todd B
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 6
• Pages of publication: 702 - 703
• a: 13.256 ± 0.004 Å
• b: 13.735 ± 0.004 Å
• c: 17.298 ± 0.005 Å
• α: 94.48 ± 0.01°
• β: 94.62 ± 0.01°
• γ: 101.6 ± 0.01°
• Cell volume: 3060.7 ± 1.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1141
• Residual factor for significantly intense reflections: 0.0624
• Weighted residual factors for significantly intense reflections: 0.1583
• Weighted residual factors for all reflections included in the refinement: 0.1752
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No